1-tert-butyl-2-ethylcyclopropan-1-ol

C9H18O — CID 79332333

IUPAC1-tert-butyl-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)C(C)(C)C
InChIInChI=1S/C9H18O/c1-5-7-6-9(7,10)8(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeySKQLDFQDJAOXLT-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds1

About 1-tert-butyl-2-ethylcyclopropan-1-ol

1-tert-butyl-2-ethylcyclopropan-1-ol (PubChem CID 79332333) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-tert-butyl-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-2-ethylcyclopropan-1-ol
PubChem CID79332333
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-tert-butyl-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)C(C)(C)C
InChIInChI=1S/C9H18O/c1-5-7-6-9(7,10)8(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeySKQLDFQDJAOXLT-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2-ethylcyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethylcyclopropan-1-ol?
The IUPAC name of 1-tert-butyl-2-ethylcyclopropan-1-ol (CID 79332333) is 1-tert-butyl-2-ethylcyclopropan-1-ol.
What is the SMILES notation for 1-tert-butyl-2-ethylcyclopropan-1-ol?
The canonical SMILES for 1-tert-butyl-2-ethylcyclopropan-1-ol is CCC1CC1(O)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethylcyclopropan-1-ol?
The InChIKey is SKQLDFQDJAOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-7-6-9(7,10)8(2,3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-2-ethylcyclopropan-1-ol?
1-tert-butyl-2-ethylcyclopropan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 79332333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).